CID 362540

Nsc626614

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CC1C(C(=NN1C(=O)C2=CC=CC=C2)C)N=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H18N4O3/c1-12-17(21-20-16-11-7-6-10-15(16)19(25)26)13(2)23(22-12)18(24)14-8-4-3-5-9-14/h3-11,13,17H,1-2H3,(H,25,26)
InChIKey
NYNDRZGGPYPPOU-UHFFFAOYSA-N
Compound name
2-[(2-benzoyl-3,5-dimethyl-3,4-dihydropyrazol-4-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13788 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14516 181.9
[M+Na]+ 373.12710 188.7
[M-H]- 349.13060 191.1
[M+NH4]+ 368.17170 193.7
[M+K]+ 389.10104 185.1
[M+H-H2O]+ 333.13514 171.4
[M+HCOO]- 395.13608 205.4
[M+CH3COO]- 409.15173 219.9
[M+Na-2H]- 371.11255 182.8
[M]+ 350.13733 183.3
[M]- 350.13843 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.